N-(1-morpholin-4-yl-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-morpholin-4-yl-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-morpholino-2-oxo-1-(phenylsulfanylmethyl)ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-(4-morpholinyl)-1-oxo-3-(phenylthio)propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-morpholin-4-yl-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-keto-2-morpholino-1-[(phenylthio)methyl]ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CSC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

Isomeric SMILES

C1COCCN1C(=O)C(CSC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

InChI

InChI=1S/C26H25N5O3S/c32-25(19-6-7-21-22(16-19)29-24(28-21)18-8-10-27-11-9-18)30-23(17-35-20-4-2-1-3-5-20)26(33)31-12-14-34-15-13-31/h1-11,16,23H,12-15,17H2,(H,28,29)(H,30,32)